COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(-n4ccnc4)cc3)c2)=C(C)C1=O
SMILES: COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(-n4ccnc4)cc3)c2)=C(C)C1=O

Molecular Processing

Molecular formula
C28H25N3O7
Molecular weight
515.52
Exact mass
515.1693
XLogP
3.57
TPSA
125.82
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
136.73

Supplementary Information

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